4-Methoxyindole - ≥98% , CAS No.4837-90-5

CAS: 4837-90-5 Cat. No.: M123499 Summenformel: C₉H₉NO Molekulargewicht: 147.18 Beilstein Registry Number: 122456 EG-Nummer: 622-799-0

QUALITÄT & REINHEIT ≥98%

Synonyms

AC-23013 | AM20060954 | 1H-Indole, 4-methoxy- | 5-Bromo-4-hydroxyindole-3-carboxaldehyde | MFCD00009737 | s4725 | LUNOXNMCFPFPMO-UHFFFAOYSA- | SY001984 | PB19861 | EN300-96752 | 4-methoxy indole | 4-Methoxyindole | 4-methoxy-indole | A7337 | Z1203730757 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

It was used for comparing the complexation reaction of β-cyclodextrin (β-CD) with pindolol using reversed-phase liquid chromatography. Reactant for preparation of: GABA analogs. Sodium-Dependent Glucose Co-transporter 2 (SGLT2) Inhibitors for the Management of Hyperglycemia in Diabetes. Anticancer agents. Integrase strand-transfer inhibitors (INSTIs). Inhibitor of Proliferation of Colon Cancer Cells. Isomeridianin G as GSK-3? inhibitors. HIV-1 integrase inhibitors. Inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2).

Spezifikationen

Synonyme

AC-23013 | AM20060954 | 1H-Indole, 4-methoxy- | 5-Bromo-4-hydroxyindole-3-carboxaldehyde | MFCD00009737 | s4725 | LUNOXNMCFPFPMO-UHFFFAOYSA- | SY001984 | PB19861 | EN300-96752 | 4-methoxy indole | 4-Methoxyindole | 4-methoxy-indole | A7337 | Z1203730757 |

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504757156

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757156

Kanonisches Lächeln

COC1=CC=CC2=C1C=CN2

IUPAC Name

4-methoxy-1H-indole

InChIKey

LUNOXNMCFPFPMO-UHFFFAOYSA-N

INCHI

1S/C9H9NO/c1-11-9-4-2-3-8-7(9)5-6-10-8/h2-6,10H,1H3

Isomere SMILES

COC1=CC=CC2=C1C=CN2

WGK Deutschland

3

Molekulargewicht

147.18

Beilstein

122456

Reaxy-Rn

122456

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol very faint turbidity
• Empfindlichkeit: Light & Air Sensitive
• Siedepunkt (°C): 181°C/24mmHg
• Schmelzpunkt (°C): 69.0-72.0°C
• Molekulargewicht: 147.170 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 25.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4837-90-5, the molecular formula is C9H9NO, and the molecular weight is 147.18 g/mol. InChIKey LUNOXNMCFPFPMO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.